7,8-diacetyloxy-5-(1-hydroxyethyl)-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 7,8-diacetyloxy-5-(1-hydroxyethyl)-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 7,8-diacetoxy-5-(1-hydroxyethyl)-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 7,8-diacetyloxy-5-(1-hydroxyethyl)-2,4-bis(trichloromethyl)-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 7,8-diacetyloxy-5-(1-hydroxyethyl)-2,4-bis(trichloromethyl)-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 7,8-diacetoxy-5-(1-hydroxyethyl)-2,4-bis(trichloromethyl)-4H-1,3-benzodioxin-6-carboxylic acid Formula: C17H14Cl6O9 MolecularWeight: 575.00566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C2=C1C(OC(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)C(=O)O)O

Isomeric SMILES

CC(C1=C(C(=C(C2=C1C(OC(O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)C(=O)O)O

InChI

InChI=1S/C17H14Cl6O9/c1-4(24)7-8-10(31-15(17(21,22)23)32-13(8)16(18,19)20)12(30-6(3)26)11(29-5(2)25)9(7)14(27)28/h4,13,15,24H,1-3H3,(H,27,28)